2-(5-fluoro-2-methoxyphenyl)-4-(propan-2-ylamino)butan-2-ol

C14H22FNO2 — CID 82782509

IUPAC2-(5-fluoro-2-methoxyphenyl)-4-(propan-2-ylamino)butan-2-ol
SMILESCOc1ccc(F)cc1C(C)(O)CCNC(C)C
InChIInChI=1S/C14H22FNO2/c1-10(2)16-8-7-14(3,17)12-9-11(15)5-6-13(12)18-4/h5-6,9-10,16-17H,7-8H2,1-4H3
InChIKeyNVNJOBVBONCETA-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.43
Rot. Bonds6

About 2-(5-fluoro-2-methoxyphenyl)-4-(propan-2-ylamino)butan-2-ol

2-(5-fluoro-2-methoxyphenyl)-4-(propan-2-ylamino)butan-2-ol (PubChem CID 82782509) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)-4-(propan-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)-4-(propan-2-ylamino)butan-2-ol
PubChem CID82782509
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name2-(5-fluoro-2-methoxyphenyl)-4-(propan-2-ylamino)butan-2-ol
SMILESCOc1ccc(F)cc1C(C)(O)CCNC(C)C
InChIInChI=1S/C14H22FNO2/c1-10(2)16-8-7-14(3,17)12-9-11(15)5-6-13(12)18-4/h5-6,9-10,16-17H,7-8H2,1-4H3
InChIKeyNVNJOBVBONCETA-UHFFFAOYSA-N
XLogP2.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-fluoro-2-methoxyphenyl)pentane-1,4-diol
CID 116861530
(2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 97294141
1-amino-2-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 79003647
2-(2-methoxy-5-methylphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66003662
2-(5-chloro-2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66002672
3-(5-chloro-2-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81022246
3-(5-fluoro-2-methoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 82782140
3-(2-fluoro-4,5-dimethoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830315
2-(5-fluoro-2-methoxyphenyl)-1-(2-fluorophenyl)propan-2-ol
CID 114832664
2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 80502577
2-(2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66002279
1-(3,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 82769159

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-4-(propan-2-ylamino)butan-2-ol?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-4-(propan-2-ylamino)butan-2-ol (CID 82782509) is 2-(5-fluoro-2-methoxyphenyl)-4-(propan-2-ylamino)butan-2-ol.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)-4-(propan-2-ylamino)butan-2-ol?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)-4-(propan-2-ylamino)butan-2-ol is COc1ccc(F)cc1C(C)(O)CCNC(C)C.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)-4-(propan-2-ylamino)butan-2-ol?
The InChIKey is NVNJOBVBONCETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-10(2)16-8-7-14(3,17)12-9-11(15)5-6-13(12)18-4/h5-6,9-10,16-17H,7-8H2,1-4H3.
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)-4-(propan-2-ylamino)butan-2-ol?
2-(5-fluoro-2-methoxyphenyl)-4-(propan-2-ylamino)butan-2-ol has a molecular weight of 255.33 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)-4-(propan-2-ylamino)butan-2-ol is sourced from PubChem (CID 82782509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).